SCHEMBL28624151

SCHEMBL28624151

O=c1cccc(Cl)n1-c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.46
KAT2B Q92831 1/20 0.46
HTT P42858 2/20 0.45
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX12 P18054 1/20 0.42
MAT2A P31153 4/20 0.41
PRMT5 O14744 1/20 0.41
MAPK14 Q16539 1/20 0.41
ELANE P08246 1/20 0.41
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AR P10275 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP1A2 P05177 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28975510 0.79 EP300 (0.46) EP300KAT2BHTTGAAMAPT
SCHEMBL10059745 0.77 GSK3B (0.45) EP300KAT2BGAAMAPTMAPK1
SCHEMBL21065490 0.77 EP300 (0.37) EP300KAT2BHTTGAAMAPT
SCHEMBL31456689 0.76 ALDH1A1 (0.43) EP300KAT2BHTTMAPTALDH1A1
SCHEMBL31456730 0.76 EP300 (0.43) EP300KAT2BHTTALDH1A1ALOX12
SCHEMBL21065496 0.73 EP300 (0.41) EP300KAT2BHTTGAAMAPT
SCHEMBL28620635 0.72 LMNA (0.43) EP300KAT2BHTTMAPK1ALDH1A1
SCHEMBL12661004 0.72 EP300 (0.53) EP300KAT2BHTTGAAMAPT
SCHEMBL16321330 0.71 ALDH1A1 (0.48) EP300KAT2BHTTALDH1A1MAT2A
SCHEMBL9110239 0.71 HTT (0.55) EP300KAT2BHTTGAAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113574055-A PCSK9 inhibitors and methods of use thereof 阿斯利康(瑞典)有限公司 2021-10-29 CN disclosed
CN-113412258-A PCSK9 inhibitors and methods of use thereof 阿斯利康(瑞典)有限公司 2021-09-17 CN disclosed